WBM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.35Å | 1.37Å | Aromatic |
| C10 | C06 | sing | 1.40Å | 1.38Å | Aromatic |
| N05 | C06 | sing | 1.40Å | 1.43Å | |
| N05 | C04 | sing | 1.37Å | 1.42Å | |
| C09 | N08 | sing | 1.35Å | 1.32Å | Aromatic |
| C06 | N07 | doub | 1.31Å | 1.34Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.45Å | |
| C03 | C02 | sing | 1.40Å | 1.45Å | |
| C04 | N11 | sing | 1.37Å | 1.41Å | |
| N08 | N07 | sing | 1.40Å | 1.36Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.19Å | |
| C02 | N28 | sing | 1.35Å | 1.46Å | |
| N11 | C12 | sing | 1.38Å | 1.47Å | |
| N28 | C12 | sing | 1.36Å | 1.37Å | Aromatic |
| N28 | N27 | sing | 1.40Å | 1.37Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.36Å | Aromatic |
| N27 | C20 | doub | 1.31Å | 1.36Å | Aromatic |
| C13 | C20 | sing | 1.42Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.52Å | |
| C15 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.36Å | Aromatic |
| C20 | C21 | sing | 1.48Å | 1.50Å | |
| C14 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.36Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C06 | 107.5° | 107.8° |
| C10 | C09 | N08 | 108.2° | 107.9° |
| C09 | C10 | H101 | 126.3° | 126.1° |
| C10 | C09 | H091 | 125.9° | 126.0° |
| C10 | C06 | N05 | 126.3° | 125.9° |
| C10 | C06 | N07 | 106.6° | 108.1° |
| C06 | C10 | H101 | 126.2° | 126.1° |
| C06 | N05 | C04 | 123.2° | 120.0° |
| N05 | C06 | N07 | 126.9° | 126.0° |
| C06 | N05 | H051 | 118.4° | 120.0° |
| N05 | C04 | C03 | 120.7° | 120.2° |
| N05 | C04 | N11 | 116.5° | 120.3° |
| C04 | N05 | H051 | 118.4° | 120.0° |
| C09 | N08 | N07 | 108.6° | 108.1° |
| N08 | C09 | H091 | 125.9° | 126.1° |
| C09 | N08 | H081 | 125.7° | 125.9° |
| C06 | N07 | N08 | 108.9° | 108.2° |
| C04 | C03 | C02 | 118.2° | 119.6° |
| C03 | C04 | N11 | 122.7° | 119.5° |
| C04 | C03 | H031 | 120.9° | 120.2° |
| C03 | C02 | O01 | 124.1° | 119.9° |
| C03 | C02 | N28 | 117.7° | 120.1° |
| C02 | C03 | H031 | 120.9° | 120.2° |
| C04 | N11 | C12 | 118.3° | 119.9° |
| C04 | N11 | H111 | 120.9° | 120.0° |
| N07 | N08 | H081 | 125.7° | 126.0° |
| O01 | C02 | N28 | 118.2° | 120.0° |
| C02 | N28 | C12 | 123.1° | 120.2° |
| C02 | N28 | N27 | 126.9° | 131.6° |
| N11 | C12 | N28 | 119.9° | 120.6° |
| N11 | C12 | C13 | 131.0° | 132.0° |
| C12 | N11 | H111 | 120.9° | 120.1° |
| C12 | N28 | N27 | 109.9° | 108.2° |
| N28 | C12 | C13 | 109.1° | 107.4° |
| N28 | N27 | C20 | 105.6° | 108.9° |
| C12 | C13 | C20 | 104.8° | 107.2° |
| C12 | C13 | C14 | 125.6° | 126.4° |
| N27 | C20 | C13 | 110.6° | 108.3° |
| N27 | C20 | C21 | 121.7° | 125.9° |
| C20 | C13 | C14 | 129.6° | 126.4° |
| C13 | C20 | C21 | 127.6° | 125.8° |
| C13 | C14 | C15 | 120.3° | 120.1° |
| C13 | C14 | C19 | 119.7° | 120.1° |
| C14 | C15 | C16 | 119.8° | 119.9° |
| C15 | C14 | C19 | 119.8° | 119.8° |
| C14 | C15 | H151 | 120.1° | 120.1° |
| C15 | C16 | C17 | 120.7° | 120.1° |
| C16 | C15 | H151 | 120.1° | 120.1° |
| C15 | C16 | H161 | 119.7° | 119.9° |
| C20 | C21 | C26 | 118.7° | 120.1° |
| C20 | C21 | C22 | 120.5° | 120.2° |
| C14 | C19 | C18 | 120.1° | 119.8° |
| C14 | C19 | H191 | 120.0° | 120.1° |
| C16 | C17 | C18 | 120.1° | 120.2° |
| C16 | C17 | H171 | 119.9° | 119.8° |
| C17 | C16 | H161 | 119.7° | 119.9° |
| C19 | C18 | C17 | 119.4° | 120.2° |
| C19 | C18 | H181 | 120.3° | 120.0° |
| C18 | C19 | H191 | 119.9° | 120.1° |
| C26 | C21 | C22 | 120.8° | 119.7° |
| C21 | C26 | C25 | 118.8° | 119.9° |
| C21 | C26 | H261 | 120.6° | 120.0° |
| C21 | C22 | C23 | 119.6° | 119.9° |
| C21 | C22 | H221 | 120.2° | 120.0° |
| C26 | C25 | C24 | 120.8° | 120.1° |
| C25 | C26 | H261 | 120.6° | 120.0° |
| C26 | C25 | H251 | 119.6° | 120.0° |
| C18 | C17 | H171 | 119.9° | 120.0° |
| C17 | C18 | H181 | 120.3° | 119.9° |
| C22 | C23 | C24 | 121.8° | 120.1° |
| C23 | C22 | H221 | 120.2° | 120.1° |
| C22 | C23 | H231 | 119.1° | 120.0° |
| C25 | C24 | C23 | 118.2° | 120.3° |
| C25 | C24 | H241 | 120.9° | 119.9° |
| C24 | C25 | H251 | 119.6° | 119.9° |
| C23 | C24 | H241 | 120.9° | 119.8° |
| C24 | C23 | H231 | 119.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C06 | H101 | 180.0° | 179.7° |
| C09 | C10 | C06 | N05 | 178.0° | 180.0° |
| C10 | C09 | N08 | H091 | 180.0° | 180.0° |
| C09 | C10 | C06 | N07 | 3.2° | 0.0° |
| C10 | C09 | N08 | N07 | 0.8° | 0.0° |
| C10 | C09 | N08 | H081 | 179.2° | 180.0° |
| C10 | C06 | N05 | N07 | 173.7° | 180.0° |
| C10 | C06 | N05 | C04 | 169.1° | 5.7° |
| C06 | C10 | C09 | N08 | 1.5° | 0.0° |
| C10 | C06 | N07 | N08 | 3.7° | 0.0° |
| C06 | C10 | C09 | H091 | 178.5° | 180.0° |
| C10 | C06 | N05 | H051 | 10.9° | 174.3° |
| C06 | N05 | C04 | H051 | 180.0° | 179.9° |
| C06 | N05 | C04 | C03 | 178.5° | 123.5° |
| C06 | N05 | C04 | N11 | 1.1° | 56.5° |
| N05 | C06 | N07 | N08 | 178.4° | 180.0° |
| N05 | C06 | C10 | H101 | 2.0° | 0.3° |
| C04 | N05 | C06 | N07 | 17.2° | 174.3° |
| N05 | C04 | C03 | N11 | 177.2° | 180.0° |
| N05 | C04 | C03 | C02 | 178.3° | 180.0° |
| N05 | C04 | N11 | C12 | 178.9° | 180.0° |
| N05 | C04 | C03 | H031 | 1.7° | 0.1° |
| N05 | C04 | N11 | H111 | 1.1° | 0.0° |
| C09 | N08 | N07 | C06 | 2.8° | 0.0° |
| C09 | N08 | N07 | H081 | 180.0° | 180.0° |
| N08 | C09 | C10 | H101 | 178.5° | 179.7° |
| N07 | C06 | C10 | H101 | 176.8° | 179.7° |
| N07 | C06 | N05 | H051 | 162.8° | 5.6° |
| C06 | N07 | N08 | H081 | 177.2° | 180.0° |
| C04 | C03 | C02 | H031 | 180.0° | 179.9° |
| C04 | C03 | C02 | O01 | 179.3° | 180.0° |
| C04 | C03 | C02 | N28 | 0.3° | 0.0° |
| C03 | C04 | N11 | C12 | 1.6° | 0.0° |
| C03 | C04 | N05 | H051 | 1.5° | 56.5° |
| C03 | C04 | N11 | H111 | 178.4° | 180.0° |
| C02 | C03 | C04 | N11 | 1.1° | 0.0° |
| C03 | C02 | O01 | N28 | 179.6° | 180.0° |
| C03 | C02 | N28 | C12 | 1.1° | 0.0° |
| C03 | C02 | N28 | N27 | 179.4° | 179.7° |
| C04 | N11 | C12 | H111 | 180.0° | 180.0° |
| C04 | N11 | C12 | N28 | 0.7° | 0.0° |
| C04 | N11 | C12 | C13 | 178.5° | 179.9° |
| N11 | C04 | C03 | H031 | 178.9° | 179.9° |
| N11 | C04 | N05 | H051 | 178.9° | 123.5° |
| N07 | N08 | C09 | H091 | 179.2° | 180.0° |
| O01 | C02 | N28 | C12 | 178.5° | 180.0° |
| O01 | C02 | N28 | N27 | 0.2° | 0.3° |
| O01 | C02 | C03 | H031 | 0.7° | 0.0° |
| C02 | N28 | C12 | N11 | 0.6° | 0.0° |
| C02 | N28 | C12 | N27 | 178.5° | 179.8° |
| C02 | N28 | C12 | C13 | 180.0° | 180.0° |
| C02 | N28 | N27 | C20 | 179.9° | 179.9° |
| N28 | C02 | C03 | H031 | 179.7° | 180.0° |
| N11 | C12 | N28 | C13 | 179.4° | 180.0° |
| N11 | C12 | N28 | N27 | 179.2° | 179.7° |
| N11 | C12 | C13 | C20 | 179.9° | 180.0° |
| N11 | C12 | C13 | C14 | 2.1° | 0.3° |
| C12 | N28 | N27 | C20 | 1.7° | 0.4° |
| N28 | C12 | C13 | C20 | 0.6° | 0.0° |
| N28 | C12 | C13 | C14 | 178.6° | 179.8° |
| N28 | C12 | N11 | H111 | 179.3° | 180.0° |
| N27 | N28 | C12 | C13 | 1.5° | 0.2° |
| N28 | N27 | C20 | C13 | 1.3° | 0.4° |
| N28 | N27 | C20 | C21 | 178.0° | 179.6° |
| C12 | C13 | C20 | N27 | 0.4° | 0.3° |
| C12 | C13 | C20 | C14 | 177.9° | 179.7° |
| C12 | C13 | C14 | C15 | 32.1° | 114.3° |
| C12 | C13 | C20 | C21 | 176.9° | 179.7° |
| C12 | C13 | C14 | C19 | 143.9° | 65.6° |
| C13 | C12 | N11 | H111 | 1.5° | 0.0° |
| N27 | C20 | C13 | C21 | 176.5° | 180.0° |
| N27 | C20 | C13 | C14 | 177.5° | 180.0° |
| N27 | C20 | C21 | C26 | 64.8° | 41.7° |
| N27 | C20 | C21 | C22 | 115.3° | 138.0° |
| C20 | C13 | C14 | C15 | 150.4° | 66.0° |
| C20 | C13 | C14 | C19 | 33.6° | 114.1° |
| C13 | C20 | C21 | C26 | 111.3° | 138.3° |
| C13 | C20 | C21 | C22 | 68.5° | 41.9° |
| C13 | C14 | C15 | C19 | 176.0° | 179.9° |
| C13 | C14 | C15 | C16 | 177.6° | 180.0° |
| C14 | C13 | C20 | C21 | 1.0° | 0.0° |
| C13 | C14 | C19 | C18 | 177.7° | 180.0° |
| C13 | C14 | C15 | H151 | 2.4° | 0.3° |
| C13 | C14 | C19 | H191 | 2.3° | 0.0° |
| C14 | C15 | C16 | H151 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 1.1° | 0.1° |
| C15 | C14 | C19 | C18 | 1.7° | 0.0° |
| C14 | C15 | C16 | H161 | 178.9° | 180.0° |
| C15 | C14 | C19 | H191 | 178.3° | 180.0° |
| C16 | C15 | C14 | C19 | 1.6° | 0.0° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.6° | 0.1° |
| C15 | C16 | C17 | H171 | 179.4° | 180.0° |
| C20 | C21 | C26 | C22 | 179.9° | 179.7° |
| C20 | C21 | C26 | C25 | 179.5° | 180.0° |
| C20 | C21 | C22 | C23 | 179.1° | 180.0° |
| C20 | C21 | C22 | H221 | 0.9° | 0.1° |
| C20 | C21 | C26 | H261 | 0.5° | 0.0° |
| C14 | C19 | C18 | H191 | 180.0° | 180.0° |
| C14 | C19 | C18 | C17 | 1.2° | 0.0° |
| C19 | C14 | C15 | H151 | 178.4° | 179.7° |
| C14 | C19 | C18 | H181 | 178.8° | 180.0° |
| C16 | C17 | C18 | C19 | 0.6° | 0.0° |
| C16 | C17 | C18 | H171 | 180.0° | 179.9° |
| C17 | C16 | C15 | H151 | 179.0° | 179.7° |
| C16 | C17 | C18 | H181 | 179.4° | 180.0° |
| C19 | C18 | C17 | H181 | 180.0° | 180.0° |
| C19 | C18 | C17 | H171 | 179.3° | 180.0° |
| C21 | C26 | C25 | H261 | 180.0° | 179.9° |
| C26 | C21 | C22 | C23 | 0.7° | 0.2° |
| C21 | C26 | C25 | C24 | 1.6° | 0.0° |
| C26 | C21 | C22 | H221 | 179.2° | 179.8° |
| C21 | C26 | C25 | H251 | 178.4° | 180.0° |
| C22 | C21 | C26 | C25 | 0.7° | 0.2° |
| C21 | C22 | C23 | H221 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 1.2° | 0.0° |
| C22 | C21 | C26 | H261 | 179.4° | 179.7° |
| C21 | C22 | C23 | H231 | 178.8° | 180.0° |
| C26 | C25 | C24 | H251 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 1.2° | 0.3° |
| C26 | C25 | C24 | H241 | 178.8° | 179.9° |
| C18 | C17 | C16 | H161 | 179.4° | 180.0° |
| C17 | C18 | C19 | H191 | 178.8° | 180.0° |
| C22 | C23 | C24 | C25 | 0.2° | 0.3° |
| C22 | C23 | C24 | H231 | 180.0° | 180.0° |
| C22 | C23 | C24 | H241 | 179.8° | 180.0° |
| C25 | C24 | C23 | H241 | 180.0° | 179.8° |
| C24 | C25 | C26 | H261 | 178.4° | 180.0° |
| C25 | C24 | C23 | H231 | 179.8° | 179.7° |
| C24 | C23 | C22 | H221 | 178.8° | 180.0° |
| C23 | C24 | C25 | H251 | 178.8° | 179.7° |
| H101 | C10 | C09 | H091 | 1.5° | 0.3° |
| H151 | C15 | C16 | H161 | 1.1° | 0.3° |
| H171 | C17 | C16 | H161 | 0.6° | 0.0° |
| H171 | C17 | C18 | H181 | 0.7° | 0.0° |
| H221 | C22 | C23 | H231 | 1.2° | 0.0° |
| H241 | C24 | C23 | H231 | 0.2° | 0.0° |
| H241 | C24 | C25 | H251 | 1.2° | 0.0° |
| H261 | C26 | C25 | H251 | 1.6° | 0.0° |
| H091 | C09 | N08 | H081 | 0.8° | 0.0° |
| H181 | C18 | C19 | H191 | 1.2° | 0.0° |
